2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone

C14H12O3S — CID 81118525

IUPAC2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1COc2ccccc21
InChIInChI=1S/C14H12O3S/c1-16-12-6-7-18-14(12)13(15)10-8-17-11-5-3-2-4-9(10)11/h2-7,10H,8H2,1H3
InChIKeyZIZULTMYQYYGAP-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.12
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone

2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone (PubChem CID 81118525) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
PubChem CID81118525
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1COc2ccccc21
InChIInChI=1S/C14H12O3S/c1-16-12-6-7-18-14(12)13(15)10-8-17-11-5-3-2-4-9(10)11/h2-7,10H,8H2,1H3
InChIKeyZIZULTMYQYYGAP-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone (CID 81118525) is 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone?
The InChIKey is ZIZULTMYQYYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c1-16-12-6-7-18-14(12)13(15)10-8-17-11-5-3-2-4-9(10)11/h2-7,10H,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone?
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone has a molecular weight of 260.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81118525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).